1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine

C17H25ClN2 — CID 117472785

IUPAC1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
SMILESClc1cc(C2CCCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C17H25ClN2/c18-16-12-14(17-6-2-3-9-19-17)7-8-15(16)13-20-10-4-1-5-11-20/h7-8,12,17,19H,1-6,9-11,13H2
InChIKeyZKQLQZZHXGKGKC-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.14
Rot. Bonds3

About 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine

1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine (PubChem CID 117472785) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
PubChem CID117472785
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
SMILESClc1cc(C2CCCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C17H25ClN2/c18-16-12-14(17-6-2-3-9-19-17)7-8-15(16)13-20-10-4-1-5-11-20/h7-8,12,17,19H,1-6,9-11,13H2
InChIKeyZKQLQZZHXGKGKC-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 117411013
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
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1-[(2-piperidin-2-ylphenyl)methyl]piperidine
CID 117400046
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
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2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
CID 117447151
4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine
CID 117450927
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
CID 117366264
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine?
The IUPAC name of 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine (CID 117472785) is 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine is Clc1cc(C2CCCCN2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine?
The InChIKey is ZKQLQZZHXGKGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c18-16-12-14(17-6-2-3-9-19-17)7-8-15(16)13-20-10-4-1-5-11-20/h7-8,12,17,19H,1-6,9-11,13H2.
What are the key properties of 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine?
1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine has a molecular weight of 292.85 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117472785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).